Vitas-M small molecule compound
methyl N-{(E)-[1-(naphthalen-1-yl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}tryptophanate
Catalog ID
STK597552
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=O)N=C(N(C1=O)c1cccc2c1cccc2)S
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H22N4O4S MW 498.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O4S/c1-35-26(34)22(13-17-14-28-21-11-5-4-9-18(17)21)29-15-20-24(32)30-27(36)31(25(20)33)23-12-6-8-16-7-2-3-10-19(16)23/h2-12,14-15,22,28-29H,13H2,1H3,(H,30,32,36)/b20-15+InChIKey
IBYAIFGVQKACKH-HMMYKYKNSA-NSynonyms
COC(=O)C(CC1=CNC2=CC=CC=C21)NC=C3C(=O)NC(=S)N(C3=O)C4=CC=CC5=CC=CC=C54
COC(=O)C(Cc1c(nH)c2c1cccc2)NC=C1C(=O)N=C(N(C1=O)c1cccc2c1cccc2)S
InChI=1SC27H22N4O4Sc13526(34)22(13171428211154918(17)21)29152024(32)3027(36)31(25(20)33)231268167231019(16)23h2121415222829H13H21H3(H303236)b2015+
METHYL3(1HINDOL3YL)2(((E)(1NAPHTHALEN1YL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)AMINO)PROPANOATE
methylN((E)(1(naphthalen1yl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)tryptophanate
MFCD07199902
ZINC000020357409
ZINC000020357410
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